ergo
|
Public Attributes | |
box_struct_basic | basicBox |
ergo_real | centerOfChargeCoords [3] |
multipole_struct_large | multipole |
ergo_real * | multipole_moment_derivatives |
ergo_real * | derivatives_wrt_multipole_moments |
box_struct_basic atom_box_struct::basicBox |
ergo_real atom_box_struct::centerOfChargeCoords[3] |
Referenced by create_nuclei_mm_tree().
ergo_real* atom_box_struct::derivatives_wrt_multipole_moments |
Referenced by compute_V_and_gradient_linear(), create_nuclei_mm_tree(), and do_interaction_recursive().
multipole_struct_large atom_box_struct::multipole |
ergo_real* atom_box_struct::multipole_moment_derivatives |
Referenced by compute_V_and_gradient_linear(), and create_nuclei_mm_tree().